ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -1139.82764163 Eh

Energy Value Units
HF -1139.8276416 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.8980 -0.1731 3.4841 3.6021

Quadrupole moment

XX YY ZZ XY XZ YZ
-130.6648 -116.9716 -60.0686 -1.6970 0.1522 0.8094

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